CID 121772

Benzenamine, 4-(1-methylbutyl)-

Structural Information

Molecular Formula
C11H17N
SMILES
CCCC(C)C1=CC=C(C=C1)N
InChI
InChI=1S/C11H17N/c1-3-4-9(2)10-5-7-11(12)8-6-10/h5-9H,3-4,12H2,1-2H3
InChIKey
AKSSDFIINGVZJQ-UHFFFAOYSA-N
Compound name
4-pentan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

163.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 137.6
[M+Na]+ 186.12532 149.7
[M+NH4]+ 181.16992 146.8
[M+K]+ 202.09926 142.7
[M-H]- 162.12882 141.0
[M+Na-2H]- 184.11077 144.6
[M]+ 163.13555 140.2
[M]- 163.13665 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe